Data quality metrics extracted from 6c3l.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "0d7d14fcf766c309762c71eea3707561",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 30.930,
    "b": 39.589,
    "c": 55.182,
    "alpha": 83.754,
    "beta": 73.847,
    "gamma": 66.962
  },
  "wavelengths": [0.97857],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.46],
    "number_observations_unique": 38467,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 11.4
      },
      {
        "type": "Completeness",
        "value": 95.9
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.066
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.51,1.46],
      "number_observations_unique": 3801,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.316
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):